2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide

C14H19N5O — CID 114778162

IUPAC2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C14H19N5O/c15-9-14(20)16-10-13-11-19(18-17-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10,15H2,(H,16,20)
InChIKeyFUPZOEIWCCCBCO-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.49
Rot. Bonds7

About 2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide (PubChem CID 114778162) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
PubChem CID114778162
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C14H19N5O/c15-9-14(20)16-10-13-11-19(18-17-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10,15H2,(H,16,20)
InChIKeyFUPZOEIWCCCBCO-UHFFFAOYSA-N
XLogP0.49
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
CID 114778652
[1-(3-phenylpropyl)triazol-4-yl]methanol
CID 62401838
2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide
CID 114778434
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
5-[1-(3-phenylpropyl)triazol-4-yl]pentanoic acid
CID 104538750
2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide
CID 114778822
2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778147
N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide
CID 102109795
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
4-[[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 114778729
N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055260

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide (CID 114778162) is 2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(CCCc2ccccc2)nn1.
What is the InChIKey of 2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide?
The InChIKey is FUPZOEIWCCCBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-9-14(20)16-10-13-11-19(18-17-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10,15H2,(H,16,20).
What are the key properties of 2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).